CAS RN: 7160-08-9
N-(4-bromophenyl)-2-methylpropanamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250207 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS7160-08-9
- Purity/Analytical Methods: >99.0%
7160-08-9 / 5-amino-2H-triazole-4-carboxamide
Basic Information
CAS
7160-08-9
Multi CAS
Yes
Molecular Formula
C3H5N5O
Molecular Weight
127.110000
Exact Mass
127.049410
InChI
InChI=1S/C10H12BrNO/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
InChIKey
AVQYIQZFJLEKGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
29.31
TPSA
110.68
LogP / Solubility
WLOGP
-1.51
MLOGP
-1.34
XLogP3
-1
Consensus LogP
-1.28
Log S (ESOL)
-0.02
Class (ESOL)
Very soluble
Log S (Ali)
0.49
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.65
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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